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The High Performance Collision Cross Section (HPCCS) is a new software for fast and accurate calculation of CCS for molecular ions. Based on the Trajectory Method (TM), HPCCS was parallelized and optimized to be an user-friendly program. Our tests show that HPCCS can describe small molecules and big proteins complexes accurately in a feasible time, which was impossible before by using the TM.

Citation: Zanotto, L., Heerdt, G., Souza, P. C. T., Araujo, G. & Skaf, M. S. (in press). High Performance Collision Cross Section Calculation - HPCCS. Journal of Computational Chemistry, 2018, DOI: 10.1002/jcc.25199.